(1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione

C23H29N3O3 — CID 127053760

IUPAC(1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@]1(CC[C@@]1(C3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H29N3O3/c1-29-17-5-4-16-11-21-6-7-23(19(27)24-20(28)25-23)13-22(21,18(16)10-17)8-9-26(14-21)12-15-2-3-15/h4-5,10,15H,2-3,6-9,11-14H2,1H3,(H2,24,25,27,28)/t21-,22+,23-/m0/s1
InChIKeyOWQCCLBKHGKZEW-ZRBLBEILSA-N
MW395.50 g/mol
LogP2.35
Rot. Bonds3

About (1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione

(1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione (PubChem CID 127053760) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione
PubChem CID127053760
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name(1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@]1(CC[C@@]1(C3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H29N3O3/c1-29-17-5-4-16-11-21-6-7-23(19(27)24-20(28)25-23)13-22(21,18(16)10-17)8-9-26(14-21)12-15-2-3-15/h4-5,10,15H,2-3,6-9,11-14H2,1H3,(H2,24,25,27,28)/t21-,22+,23-/m0/s1
InChIKeyOWQCCLBKHGKZEW-ZRBLBEILSA-N
XLogP2.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione (CID 127053760) is (1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@]1(CC[C@@]1(C3)NC(=O)NC1=O)C2.
What is the InChIKey of (1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione?
The InChIKey is OWQCCLBKHGKZEW-ZRBLBEILSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-17-5-4-16-11-21-6-7-23(19(27)24-20(28)25-23)13-22(21,18(16)10-17)8-9-26(14-21)12-15-2-3-15/h4-5,10,15H,2-3,6-9,11-14H2,1H3,(H2,24,25,27,28)/t21-,22+,23-/m0/s1.
What are the key properties of (1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione?
(1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione has a molecular weight of 395.50 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,15S)-11-(cyclopropylmethyl)-4-methoxyspiro[11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-triene-15,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 127053760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).